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N

Noriyuki Kurita

Toyohashi University of Technology

28H指数
229论文数
2.9K被引数
收录论文 30
发表时间
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Correction to “Designing Novel InhA Inhibitors for Antituberculosis Agents Using ab Initio Fragment Molecular Orbital Calculations”勘误“利用从头算片段分子轨道计算设计新型 InhA 抑制剂用于抗结核药物”
errACS Omega
IF4.3
err2026-02-26
err0
errOAAI
errThimpika Pornprom; Bongkochawan Pakamwong; Darunee Sukchit; Masayuki Yuguchi; Yoshinobu Nagura; Haruna Sabishiro; Nagomi Chimura; Auradee Punkvang; Paptawan Thongdee; Khomson Suttisintong; Prasat Kittakoop; Noriyuki Kurita; Pornpan Pungpo
err分享
err收藏
Specific interactions between fluorinated vitamin-D3 derivatives and vitamin-D receptor: molecular mechanics and ab initio fragment molecular orbital calculations
errJournal of Molecular Modeling
IF2.5
err2026-01-14
err1
errOAAI
errYuguchi, Masayuki; Takenaka, Shuta; Nakatani, Chisato; Nagura, Yoshinobu; Sabishiro, Haruna; Chimura, Nagomi; Kittaka, Atsushi; Takimoto-Kamimura, Midori; Kurita, Noriyuki
err分享
err收藏
Cooperative inhibition in cytochrome P450 between a substrate and an apparent noncompetitive inhibitor细胞色素P450中底物与表观非竞争性抑制剂之间的协同抑制
errJOURNAL OF BIOLOGICAL CHEMISTRY
IF3.9
err2025-06-01
err0
errOAAI
errHirano, Yu; Yoneda, Sachiyo; Yasuda, Kaori; Kurita, Noriyuki; Kawagoe, Fumihiro; Mikami, Bunzo; Takita, Teisuke; Yasukawa, Kiyoshi; Ikushiro, Shinichi; Takimoto-Kamimura, Midori; Kittaka, Atsushi
err分享
err收藏
Efficiency of QM/MM optimization and fragment molecular orbital calculations for investigating interactions between zinc metalloprotease and its inhibitorsQM/MM优化和片段分子轨道计算在探究锌金属蛋白酶与其抑制剂间相互作用效率中的应用
errJOURNAL OF MOLECULAR GRAPHICS & MODELLING
IF3
err2025-06-01
err0
PREAI
errSabishiro, Haruna; Nagura, Yoshinobu; Chimura, Nagomi; Yuguchi, Masayuki; Nakatani, Chisato; Takenaka, Shuta; Sugizaki, Himena; Kurita, Noriyuki
err分享
err收藏
In Silico Design of Natural Inhibitors of ApoE4 from the Plant Moringa oleifera: Molecular Docking and Ab Initio Fragment Molecular Orbital Calculations植物辣根中ApoE4天然抑制剂的计算机设计: 分子对接和从头算片段分子轨道计算
errMOLECULES
IF4.6
err2023-12-11
err0
errOAAI
errShaji, Divya; Nagura, Yoshinobu; Sabishiro, Haruna; Suzuki, Ryo; Kurita, Noriyuki; Sippl, Wolfgang
err分享
err收藏
Proposal of novel ApoE4 inhibitors from the natural spice Cinnamon for the treatment of Alzheimer's disease: Ab initio molecular simulations
errBIOPHYSICAL CHEMISTRY
IF2.2
err2023-05-01
err4
PREAI
errShaji, Divya; Das, Abhinav; Suzuki, Ryo; Nagura, Yoshinobu; Sabishiro, Haruna; Kurita, Noriyuki
err分享
err收藏
Structure-based drug design of novel M. tuberculosis InhA inhibitors based on fragment molecular orbital calculations
errCOMPUTERS IN BIOLOGY AND MEDICINE
IF6.3
err2023-01-01
err2
errOAAI
errPhusi, Naruedon; Hashimoto, Yuta; Otsubo, Naoki; Imai, Kyohei; Thongdee, Paptawan; Sukchit, Darunee; Kamsri, Pharit; Punkvang, Auradee; Suttisintong, Khomson; Pungpo, Pornpan; Kurita, Noriyuki
err分享
err收藏
Single-molecule junction spontaneously restored by DNA zipper
errNATURE COMMUNICATIONS
IF15.7
err2021-10-01
err8
errOAAI
errHarashima, Takanori; Fujii, Shintaro; Jono, Yuki; Terakawa, Tsuyoshi; Kurita, Noriyuki; Kaneko, Satoshi; Kiguchi, Manabu; Nishino, Tomoaki
err分享
err收藏
Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations
errBIOPHYSICAL CHEMISTRY
IF2.2
err2021-08-01
err12
errOAAI
errShaji, Divya; Yamamoto, Shohei; Saito, Ryosuke; Suzuki, Ryo; Nakamura, Shunya; Kurita, Noriyuki
err分享
err收藏
Proposal of novel inhibitors for vitamin-D receptor: Molecular docking, molecular mechanics and ab initio molecular orbital simulations
errBIOPHYSICAL CHEMISTRY
IF2.2
err2021-03-01
err1
PREAI
errNakamura, Shunya; Saito, Ryosuke; Yamamoto, Shohei; Terauchi, Yuta; Kittaka, Atsushi; Takimoto-Kamimura, Midori; Kurita, Noriyuki
err分享
err收藏
FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-01-29
err33
errOAAI
errTakaya, Daisuke; Watanabe, Chiduru; Nagase, Shunpei; Kamisaka, Kikuko; Okiyama, Yoshio; Moriwaki, Hirotomo; Yuki, Hitomi; Sato, Tomohiro; Kurita, Noriyuki; Yagi, Yoichiro; Takagi, Tatsuya; Kawashita, Norihito; Takaba, Kenichiro; Ozawa, Tomonaga; Takimoto-Kamimura, Midori; Tanaka, Shigenori; Fukuzawa, Kaori; Honma, Teruki
err分享
err收藏
Proposal of Potent Inhibitors for a Bacterial Cell Division Protein FtsZ: Molecular Simulations Based on Molecular Docking and ab Initio Molecular Orbital Calculations
errANTIBIOTICS-BASEL
IF4.6
err2020-11-26
err4
errOAAI
errYamamoto, Shohei; Saito, Ryosuke; Nakamura, Shunya; Sogawa, Haruki; Karpov, Pavel; Shulga, Sergey; Blume, Yaroslav; Kurita, Noriyuki
err分享
err收藏
Protonation states of central amino acids in a zinc metalloprotease complexed with inhibitor: Molecular mechanics optimizations and ab initio molecular orbital calculations
errBIOPHYSICAL CHEMISTRY
IF2.2
err2020-06-01
err6
errOAAI
errEzawa, Takuya; Saito, Ryosuke; Suzuki, Shusuke; Sugiyama, Satoshi; Sylte, Ingebrigt; Kurita, Noriyuki
err分享
err收藏
Effect of hydration on electrical conductivity of DNA duplex: Green's function study combined with DFT
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2012-02-01
err10
PREAI
errMaeda, Yaku; Okamoto, Akisumi; Hoshiba, Yasuhiro; Tsukamoto, Takayuki; Ishikawa, Yasuyuki; Kurita, Noriyuki
err分享
err收藏
A combined nonequilibrium Green's function/density-functional theory study of electrical conducting properties of artificial DNA duplexes人工DNA双链体导电性质的非平衡格林函数/密度泛函理论研究
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2012-02-01
err4
PREAI
errOkamoto, Akisumi; Maeda, Yaku; Tsukamoto, Takayuki; Ishikawa, Yasuyuki; Kurita, Noriyuki
err分享
err收藏
Specific Interactions and Binding Free Energies Between Thermolysin and Dipeptides: Molecular Simulations Combined with Ab Initio Molecular Orbital and Classical Vibrational Analysis嗜热菌素与二肽之间的特定相互作用和结合自由能: 分子模拟与从头算分子轨道和经典振动分析相结合
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2011-08-03
err11
PREAI
errDedachi, Kenichi; Hirakawa, Tatsuya; Fujita, Seiya; Khan, Mahmud Tareq Hassan; Sylte, Ingebrigt; Kurita, Noriyuki
err分享
err收藏
Specific Interactions between Lactose Repressor Protein and DNA Affected by Ligand Binding: Ab Initio Molecular Orbital Calculations受配体结合影响的乳糖阻遏蛋白与DNA之间的特定相互作用: 从头算分子轨道计算
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2011-02-15
err6
PREAI
errOhyama, Tatsuya; Hayakawa, Masato; Nishikawa, Shin; Kurita, Noriyuki
err分享
err收藏
Lithium intercalation into BCN alloy derived from pyridine-borane complex
errMolecular Crystals and Liquid Crystals
IF0.7
err2006-09-24
err2
PREAI
errSasaki, M; Goto, Y; Inagaki, M; Kurita, N
err分享
err收藏
Molecular orbital calculations on electronic properties and lithium storage of substituted disordered carbons
errMolecular Crystals and Liquid Crystals
IF0.7
err2006-09-24
err2
PREAI
errKurita, N
err分享
err收藏
Enhanced spontaneous metastasis in bikunin-deficient mice
errINTERNATIONAL JOURNAL OF CANCER
IF4.7
err2005-12-05
err18
errOAAI
errYagyu, T; Kobayashi, H; Matsuzaki, H; Wakahara, K; Kondo, T; Kurita, N; Sekino, H; Inagaki, K
err分享
err收藏

研究方向

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